2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol

C25H48O — CID 130369263

IUPAC2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol
SMILESCC1CCCCCCCCCCCCC1(O)C1(C)CCCCCCCC1
InChIInChI=1S/C25H48O/c1-23-19-15-11-7-5-3-4-6-8-14-18-22-25(23,26)24(2)20-16-12-9-10-13-17-21-24/h23,26H,3-22H2,1-2H3
InChIKeyGNUSHGAXYFCJDM-UHFFFAOYSA-N
MW364.66 g/mol
LogP8.19
Rot. Bonds1

About 2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol

2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol (PubChem CID 130369263) has the molecular formula C25H48O and a molecular weight of 364.66 g/mol. Its IUPAC name is 2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol
PubChem CID130369263
Molecular FormulaC25H48O
Molecular Weight364.66 g/mol
Exact Mass364.37
IUPAC Name2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol
SMILESCC1CCCCCCCCCCCCC1(O)C1(C)CCCCCCCC1
InChIInChI=1S/C25H48O/c1-23-19-15-11-7-5-3-4-6-8-14-18-22-25(23,26)24(2)20-16-12-9-10-13-17-21-24/h23,26H,3-22H2,1-2H3
InChIKeyGNUSHGAXYFCJDM-UHFFFAOYSA-N
XLogP8.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S,4aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 3032717
4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-2,4a-diol
CID 163112005
1,1,2-trimethylcycloundecane
CID 544748
methanol;1,1,2-trimethylcyclohexane
CID 70292509
4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a-diol
CID 162816105
1-cyclohexyl-2-methylcyclohexan-1-ol
CID 43809284
(3R)-4-methyl-1-azaspiro[2.6]nonane
CID 121388588
1,2-dimethylcycloundecane-1-carbaldehyde
CID 138734446
CID 123603373
CID 123603373
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
(4aR,8aS)-8a-methyl-4-nitro-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CID 134863664
(8S)-7-hydroxy-8-methylbicyclo[5.2.0]nonane-8-carbaldehyde
CID 89295257

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol?
The IUPAC name of 2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol (CID 130369263) is 2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol.
What is the SMILES notation for 2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol?
The canonical SMILES for 2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol is CC1CCCCCCCCCCCCC1(O)C1(C)CCCCCCCC1.
What is the InChIKey of 2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol?
The InChIKey is GNUSHGAXYFCJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O/c1-23-19-15-11-7-5-3-4-6-8-14-18-22-25(23,26)24(2)20-16-12-9-10-13-17-21-24/h23,26H,3-22H2,1-2H3.
What are the key properties of 2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol?
2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol has a molecular weight of 364.66 g/mol, XLogP of 8.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylcyclononyl)cyclotetradecan-1-ol is sourced from PubChem (CID 130369263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).